General Information of the Compound
| Compound ID |
CP0385892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9085584, 35
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18ClN5O2
|
||||||||||||||||||
| Molecular Weight |
383.839
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O)COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18ClN5O2/c1-10-4-7-16-19(21-10)25-17(12(3)22-16)23-24-18(25)14-8-13(5-6-15(14)20)27-9-11(2)26/h4-8,11,26H,9H2,1-3H3/t11-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IQKUDFYGJLMDTB-LLVKDONJSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase